(2,4-dichlorophenyl)methyl 2-(3-aminophenoxy)acetate

C15H13Cl2NO3 — CID 61321528

IUPAC(2,4-dichlorophenyl)methyl 2-(3-aminophenoxy)acetate
SMILESNc1cccc(OCC(=O)OCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H13Cl2NO3/c16-11-5-4-10(14(17)6-11)8-21-15(19)9-20-13-3-1-2-12(18)7-13/h1-7H,8-9,18H2
InChIKeyUBSWNOKUXQXRSQ-UHFFFAOYSA-N
MW326.18 g/mol
LogP3.70
Rot. Bonds5

About (2,4-dichlorophenyl)methyl 2-(3-aminophenoxy)acetate

(2,4-dichlorophenyl)methyl 2-(3-aminophenoxy)acetate (PubChem CID 61321528) has the molecular formula C15H13Cl2NO3 and a molecular weight of 326.18 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl 2-(3-aminophenoxy)acetate.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl 2-(3-aminophenoxy)acetate
PubChem CID61321528
Molecular FormulaC15H13Cl2NO3
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name(2,4-dichlorophenyl)methyl 2-(3-aminophenoxy)acetate
SMILESNc1cccc(OCC(=O)OCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H13Cl2NO3/c16-11-5-4-10(14(17)6-11)8-21-15(19)9-20-13-3-1-2-12(18)7-13/h1-7H,8-9,18H2
InChIKeyUBSWNOKUXQXRSQ-UHFFFAOYSA-N
XLogP3.70
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (2,4-dichlorophenyl)methyl 2-(3-aminophenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803716
2-hydroxyethyl 2-(3-aminophenoxy)acetate
CID 61320594
(4-methoxyphenyl)methyl 2-(3-aminophenoxy)acetate
CID 61310068
(3-amino-3-oxopropyl) 2-(3-aminophenoxy)acetate
CID 54979087
[[2-(2,4-dichlorophenyl)acetyl]amino] 2-phenoxyacetate
CID 146175960
3-[(2-chlorophenyl)methoxy]aniline
CID 23010255
1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-3-hydroxyprop-2-en-1-one
CID 1477571
6-hydroxyhexyl 2-(3-aminophenoxy)acetate
CID 107706148
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915570
(2,4-dichlorophenyl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842112
(5-methyl-3-pyridinyl)methyl 2-(3-aminophenoxy)acetate
CID 102878368
methyl 4-[3-[(2,4-dichlorophenyl)methoxy]phenoxy]butanoate
CID 123685242

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl 2-(3-aminophenoxy)acetate?
The IUPAC name of (2,4-dichlorophenyl)methyl 2-(3-aminophenoxy)acetate (CID 61321528) is (2,4-dichlorophenyl)methyl 2-(3-aminophenoxy)acetate.
What is the SMILES notation for (2,4-dichlorophenyl)methyl 2-(3-aminophenoxy)acetate?
The canonical SMILES for (2,4-dichlorophenyl)methyl 2-(3-aminophenoxy)acetate is Nc1cccc(OCC(=O)OCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of (2,4-dichlorophenyl)methyl 2-(3-aminophenoxy)acetate?
The InChIKey is UBSWNOKUXQXRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3/c16-11-5-4-10(14(17)6-11)8-21-15(19)9-20-13-3-1-2-12(18)7-13/h1-7H,8-9,18H2.
What are the key properties of (2,4-dichlorophenyl)methyl 2-(3-aminophenoxy)acetate?
(2,4-dichlorophenyl)methyl 2-(3-aminophenoxy)acetate has a molecular weight of 326.18 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl 2-(3-aminophenoxy)acetate is sourced from PubChem (CID 61321528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).